CID 87828817

(e)-1-butenesulfenate

Structural Information

Molecular Formula
C4H8OS
SMILES
CC/C=C/SO
InChI
InChI=1S/C4H8OS/c1-2-3-4-6-5/h3-5H,2H2,1H3/b4-3+
InChIKey
NGMITSIERXESJI-ONEGZZNKSA-N
Compound name
(E)-1-hydroxysulfanylbut-1-ene
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

104.02959 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 105.03687 119.8
[M+Na]+ 127.01881 130.2
[M+NH4]+ 122.06341 128.7
[M+K]+ 142.99275 122.4
[M-H]- 103.02231 119.5
[M+Na-2H]- 125.00426 123.2
[M]+ 104.02904 121.5
[M]- 104.03014 121.5
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.